N-(4-fluorophenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide

C19H23FN4O5 — CID 45076411

IUPACN-(4-fluorophenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide
SMILESCOCCNC(=O)CN(C(=O)CCC(=O)Nc1ccc(F)cc1)c1cc(C)on1
InChIInChI=1S/C19H23FN4O5/c1-13-11-16(23-29-13)24(12-18(26)21-9-10-28-2)19(27)8-7-17(25)22-15-5-3-14(20)4-6-15/h3-6,11H,7-10,12H2,1-2H3,(H,21,26)(H,22,25)
InChIKeyKZARXVYVYMECDE-UHFFFAOYSA-N
MW406.41 g/mol
LogP1.64
Rot. Bonds10

About N-(4-fluorophenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide

N-(4-fluorophenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide (PubChem CID 45076411) has the molecular formula C19H23FN4O5 and a molecular weight of 406.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide
PubChem CID45076411
Molecular FormulaC19H23FN4O5
Molecular Weight406.41 g/mol
Exact Mass406.17
IUPAC NameN-(4-fluorophenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide
SMILESCOCCNC(=O)CN(C(=O)CCC(=O)Nc1ccc(F)cc1)c1cc(C)on1
InChIInChI=1S/C19H23FN4O5/c1-13-11-16(23-29-13)24(12-18(26)21-9-10-28-2)19(27)8-7-17(25)22-15-5-3-14(20)4-6-15/h3-6,11H,7-10,12H2,1-2H3,(H,21,26)(H,22,25)
InChIKeyKZARXVYVYMECDE-UHFFFAOYSA-N
XLogP1.64
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(4-fluorophenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-fluorophenyl)acetamide
CID 113181855
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113181784
N-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(5-methyl-1,2-oxazol-3-yl)-N'-(oxolan-2-ylmethyl)butanediamide
CID 45076418
N-(4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide
CID 645214
ethyl 4-[[2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]acetyl]amino]benzoate
CID 113181912
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-acetylphenyl)propanamide
CID 113135794
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-bromo-4-methylphenyl)propanamide
CID 113135778
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-methoxyphenyl)acetamide
CID 113181870
N'-(2-ethylphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
CID 3205189
N'-(2,4-dimethoxyphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
CID 3846179
3-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 110678607
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 17218182

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The IUPAC name of N-(4-fluorophenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide (CID 45076411) is N-(4-fluorophenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide.
What is the SMILES notation for N-(4-fluorophenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The canonical SMILES for N-(4-fluorophenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide is COCCNC(=O)CN(C(=O)CCC(=O)Nc1ccc(F)cc1)c1cc(C)on1.
What is the InChIKey of N-(4-fluorophenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The InChIKey is KZARXVYVYMECDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O5/c1-13-11-16(23-29-13)24(12-18(26)21-9-10-28-2)19(27)8-7-17(25)22-15-5-3-14(20)4-6-15/h3-6,11H,7-10,12H2,1-2H3,(H,21,26)(H,22,25).
What are the key properties of N-(4-fluorophenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide?
N-(4-fluorophenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide has a molecular weight of 406.41 g/mol, XLogP of 1.64, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide is sourced from PubChem (CID 45076411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).